(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide

C16H22ClN3O3S — CID 8711871

IUPAC(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O3S/c1-12(16(21)18-13-6-7-13)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyARFGHDHDUOLMEN-GFCCVEGCSA-N
MW371.89 g/mol
LogP1.31
Rot. Bonds5

About (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide

(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 8711871) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID8711871
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C16H22ClN3O3S/c1-12(16(21)18-13-6-7-13)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m1/s1
InChIKeyARFGHDHDUOLMEN-GFCCVEGCSA-N
XLogP1.31
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
(2R)-N-cyclopropyl-2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8771468
N-cyclopropyl-2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 46457701
(2S)-2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8710856
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 24507059
(2S)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopentylpropanamide
CID 8512767
(2S)-2-[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 94669702
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide (CID 8711871) is (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide is C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is ARFGHDHDUOLMEN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-12(16(21)18-13-6-7-13)19-8-10-20(11-9-19)24(22,23)15-5-3-2-4-14(15)17/h2-5,12-13H,6-11H2,1H3,(H,18,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide?
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 371.89 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 8711871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).